[NO NAME] Mrv0541 04221221522D Created with ChemWriter - http://chemwriter.com 74 77 0 0 1 0 999 V2000 0.0000 -7.8646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 -7.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -7.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -7.4601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -7.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 -7.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2693 -7.8646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -7.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -7.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 -6.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -8.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5503 -6.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -5.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -5.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 -6.6512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3143 -6.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 -6.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -5.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3479 -5.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 -6.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7747 -6.5613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -6.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 -6.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8869 -6.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -7.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 -5.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -4.9435 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -4.1345 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -5.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 -7.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -7.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -8.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 -7.4152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -5.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 -4.9435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1678 -4.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3250 -5.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0441 -4.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 -5.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4822 -4.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 -6.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 -4.1345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3250 -2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3250 -3.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 -2.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -2.8762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8869 -3.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 -2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 -3.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0441 -2.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0441 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0557 -2.8762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -2.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 -2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 -3.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -2.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -3.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7747 -2.4717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1678 -2.4717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 -4.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7747 -1.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 -1.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4488 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 -1.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -5.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -6.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 -5.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 16 8 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 72 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 6 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 31 2 0 0 0 0 25 26 1 0 0 0 0 25 32 1 1 0 0 0 26 36 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 57 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 1 1 0 0 0 37 44 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 44 49 1 0 0 0 0 45 47 1 0 0 0 0 45 52 1 0 0 0 0 45 46 2 0 0 0 0 46 53 1 0 0 0 0 48 47 1 1 0 0 0 48 61 1 0 0 0 0 48 49 1 0 0 0 0 49 62 2 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 51 53 2 0 0 0 0 54 55 1 0 0 0 0 54 60 1 0 0 0 0 55 56 1 0 0 0 0 55 70 2 0 0 0 0 56 57 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 60 63 1 1 0 0 0 63 65 1 0 0 0 0 64 66 2 0 0 0 0 64 65 1 0 0 0 0 65 68 2 0 0 0 0 66 67 1 0 0 0 0 67 69 2 0 0 0 0 67 71 1 0 0 0 0 68 69 1 0 0 0 0 72 73 2 3 0 0 0 72 74 1 0 0 0 0 M END > DB00035 > drugbank > NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O > InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 > InChIKey=NFLWUMRGJYTJIN-NXBWRCJVSA-N > 15 > 106.19431389130182 > 0 > 14 > 1068.426954962 > 0 > C46H64N14O12S2 > 0 > (2S)-2-{[(2S)-1-{[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide > -1.04 > -6.128255121522684 > -3.99 > 1069.217 > 1 > 4 > 1 > 11.344258946590854 > 9.496980961426173 > 11.771940185101531 > 435.40999999999985 > 279.7799 > 19 > 0 > 1.10e-01 g/l > desmopressin > 0 > DB00035 > approved > Desmopressin > 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin; 1-deamino-8-D-arginine vasopressin; 1-Desamino-8-D-arginine vasopressin; DDAVP; Desmopresina; Desmopressine; Desmopressinum > Adiuretin; DDAVP; DesmoMelt; Minirin; Stimate > Desmopressin acetate $$$$